U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C48H72O21
Molecular Weight 985.0727
Optical Activity UNSPECIFIED
Defined Stereocenters 24 / 24
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LICORICESAPONIN A3

SMILES

C[C@]12CC[C@@](C)(C[C@H]1C3=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O[C@@H]7O[C@@H]([C@@H](O)[C@H](O)[C@H]7O)C(O)=O)C(O)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC2)C(=O)O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O

InChI

InChIKey=HJFOOTRGDAPZMV-SMVKYPPISA-N
InChI=1S/C48H72O21/c1-43(2)23-8-11-48(7)36(21(50)16-19-20-17-45(4,13-12-44(20,3)14-15-47(19,48)6)42(63)69-39-31(57)26(52)25(51)22(18-49)64-39)46(23,5)10-9-24(43)65-41-35(30(56)29(55)34(67-41)38(61)62)68-40-32(58)27(53)28(54)33(66-40)37(59)60/h16,20,22-36,39-41,49,51-58H,8-15,17-18H2,1-7H3,(H,59,60)(H,61,62)/t20-,22+,23-,24-,25+,26-,27-,28-,29-,30-,31+,32+,33-,34-,35+,36+,39-,40-,41+,44+,45-,46-,47+,48+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
LICORICE-SAPONIN A3
Preferred Name English
LICORICESAPONIN A3
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (3.BETA.,20.BETA.)-29-(.BETA.-D-GLUCOPYRANOSYLOXY)-11,29-DIOXOOLEAN-12-EN-3-YL 2-O-.BETA.-D-GLUCOPYRANURONOSYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
14187172
Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025
PRIMARY
CAS
118325-22-7
Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025
PRIMARY
EPA CompTox
DTXSID001316022
Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025
PRIMARY
FDA UNII
88G00OJY89
Created by admin on Mon Mar 31 22:58:20 GMT 2025 , Edited by admin on Mon Mar 31 22:58:20 GMT 2025
PRIMARY